tert-butyl N-[2-(1-butanoylpiperidin-4-yl)ethyl]carbamate

C16H30N2O3 — CID 177056107

IUPACtert-butyl N-[2-(1-butanoylpiperidin-4-yl)ethyl]carbamate
SMILESCCCC(=O)N1CCC(CCNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H30N2O3/c1-5-6-14(19)18-11-8-13(9-12-18)7-10-17-15(20)21-16(2,3)4/h13H,5-12H2,1-4H3,(H,17,20)
InChIKeyQYPCSIUZQGZDFA-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.94
Rot. Bonds5

About tert-butyl N-[2-(1-butanoylpiperidin-4-yl)ethyl]carbamate

tert-butyl N-[2-(1-butanoylpiperidin-4-yl)ethyl]carbamate (PubChem CID 177056107) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is tert-butyl N-[2-(1-butanoylpiperidin-4-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1-butanoylpiperidin-4-yl)ethyl]carbamate
PubChem CID177056107
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nametert-butyl N-[2-(1-butanoylpiperidin-4-yl)ethyl]carbamate
SMILESCCCC(=O)N1CCC(CCNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H30N2O3/c1-5-6-14(19)18-11-8-13(9-12-18)7-10-17-15(20)21-16(2,3)4/h13H,5-12H2,1-4H3,(H,17,20)
InChIKeyQYPCSIUZQGZDFA-UHFFFAOYSA-N
XLogP2.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(1-butanoylpiperidin-4-yl)carbamate
CID 52622771
propan-2-yl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-1-carboxylate
CID 59158861
tert-butyl N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]carbamate
CID 24689329
tert-butyl N-[3-oxo-3-[4-(pentanoylamino)piperidin-1-yl]propyl]carbamate
CID 108555481
tert-butyl N-[3-(4-ethenylpiperidin-1-yl)-3-oxopropyl]carbamate
CID 172590820
tert-butyl N-[3-[4-[[[(E)-4,4-dimethylpent-2-enoyl]amino]methyl]piperidin-1-yl]-3-oxopropyl]carbamate
CID 108919554
3-(1-butanoylpiperidin-4-yl)propanamide
CID 166192887
tert-butyl N-(5-oxo-5-pyrrolidin-1-ylpentyl)carbamate
CID 22027804
tert-butyl N-[4-(azepan-1-yl)-4-oxobutyl]carbamate
CID 24688946
tert-butyl N-[[1-[2-(oxetan-3-yl)acetyl]piperidin-4-yl]methyl]carbamate
CID 142459312
tert-butyl N-[2-[4-[(cyclopropanecarbonylamino)methyl]piperidin-1-yl]-2-oxoethyl]carbamate
CID 108916482
tert-butyl N-[2-[[N'-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]carbamimidoyl]amino]ethyl]carbamate
CID 111884169

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(1-butanoylpiperidin-4-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(1-butanoylpiperidin-4-yl)ethyl]carbamate (CID 177056107) is tert-butyl N-[2-(1-butanoylpiperidin-4-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(1-butanoylpiperidin-4-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(1-butanoylpiperidin-4-yl)ethyl]carbamate is CCCC(=O)N1CCC(CCNC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[2-(1-butanoylpiperidin-4-yl)ethyl]carbamate?
The InChIKey is QYPCSIUZQGZDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-5-6-14(19)18-11-8-13(9-12-18)7-10-17-15(20)21-16(2,3)4/h13H,5-12H2,1-4H3,(H,17,20).
What are the key properties of tert-butyl N-[2-(1-butanoylpiperidin-4-yl)ethyl]carbamate?
tert-butyl N-[2-(1-butanoylpiperidin-4-yl)ethyl]carbamate has a molecular weight of 298.43 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(1-butanoylpiperidin-4-yl)ethyl]carbamate is sourced from PubChem (CID 177056107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).